Glycoside
GD078592
Name:
NoneFormula:
C17H17O4N6ClSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(Cl)nc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Clc1ccc(CNc2ncnc3c2N=C[N]3)cn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.8 | Num_heavy_atoms: | 27 |
| TPSA: | 138.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD36113
Formula: C12H8N6Cl
Smiles:
Clc1ccc(CNc2ncnc3c2N=C[N]3)cn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 259.68 | Num_heavy_atoms: | 18 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
